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CHEBI:205837 - Xylarinonericin A

ChEBI IDCHEBI:205837
ChEBI NameXylarinonericin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O8
Net Charge0
Average Mass502.604
Monoisotopic Mass502.25667
SMILESCOC1=CC(=O)[C@H](OC(=O)[C@@]23C(C(C)C)=C[C@H]4C[C@@]2(C=O)[C@@H]2CC[C@@H](C)[C@H]2C[C@]43CO)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C28H38O8/c1-14(2)19-8-16-10-27(13-30)18-7-6-15(3)17(18)11-26(16,12-29)28(19,27)24(33)36-23-20(31)9-21(35-5)22(32)25(23,4)34/h8-9,13-18,22-23,29,32,34H,6-7,10-12H2,1-5H3/t15-,16+,17-,18-,22+,23+,25+,26+,27-,28-/m1/s1
InChIKeyVEIBLLDOLQXIOO-YNXGSKKRSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tet.2013.10.063)
ChEBI Ontology
Outgoing Relation(s)
Xylarinonericin A (CHEBI:205837) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] (1R,2S,4R,5R,8R,9R,11R)-9-ormyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
Manual XrefsDatabases
78437304ChemSpider